CID 28303647

1993232-10-2

Structural Information

Molecular Formula
C13H19N3
SMILES
CC(C)CN1C2=CC=CC=C2N=C1CCN
InChI
InChI=1S/C13H19N3/c1-10(2)9-16-12-6-4-3-5-11(12)15-13(16)7-8-14/h3-6,10H,7-9,14H2,1-2H3
InChIKey
NUKKCWZSLVXKNE-UHFFFAOYSA-N
Compound name
2-[1-(2-methylpropyl)benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

217.1579 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.165176 151.1
[M+Na]+ 240.147118 160.0
[M-H]- 216.150624 152.9
[M+NH4]+ 235.191723 169.9
[M+K]+ 256.121058 156.1
[M+H-H2O]+ 200.155160 143.5
[M+HCOO]- 262.156101 173.3
[M+CH3COO]- 276.171751 193.1
[M+Na-2H]- 238.132566 155.5
[M]+ 217.15735142 152.9
[M]- 217.15844858 152.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.